SCHEMBL3256649

SCHEMBL3256649

CNCCCCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
SIGMAR1 Q99720 1/20 0.59
HRH1 P35367 2/20 0.59
CYP2A6 P11509 1/20 0.58
TBXAS1 P24557 7/20 0.54
CHRM2 P08172 1/20 0.53
CHRNA7 P36544 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTAFR P25105 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4961181 0.98 L3MBTL1 (0.64) L3MBTL1TDP1SIGMAR1HRH1CYP2A6
SCHEMBL5879455 0.95 L3MBTL1 (0.62) L3MBTL1TDP1SIGMAR1HRH1CYP2A6
SCHEMBL883731 0.87 ATM (0.57) L3MBTL1TDP1HRH1CYP2A6CHRNA7
SCHEMBL29403584 0.87 ATM (0.57) L3MBTL1TDP1HRH1CYP2A6CHRNA7
Hydrochloric Acid SCHEMBL3544868 0.85 ATM (0.55) L3MBTL1TDP1HRH1CYP2A6TBXAS1
SCHEMBL29485675 0.84 TDP1 (0.80) L3MBTL1TDP1HRH1CYP2A6TBXAS1
SCHEMBL724788 0.84 TDP1 (0.80) L3MBTL1TDP1HRH1CYP2A6TBXAS1
SCHEMBL2845851 0.82 HRH1 (0.81) L3MBTL1TDP1HRH1CYP2A6TBXAS1
SCHEMBL29485667 0.82 HRH1 (0.81) L3MBTL1TDP1HRH1CYP2A6TBXAS1
SCHEMBL29485634 0.82 HRH1 (0.81) L3MBTL1TDP1HRH1CYP2A6TBXAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180991-B1 GAMBOGIC ACID DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2010-05-19 EP claimed
JP-3899126-B2 2007-03-28 JP claimed
EP-1180991-A4 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2005-10-12 EP claimed
EP-0873050-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS TARGACEPT INC (US) 2004-03-10 EP claimed
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2003-04-24 US claimed
US-6462041-B1 ACTIVATORS OF CASPASE CASCADE; TREATING, PREVENTING OR AMELIORATING NEOPLASIA AND CANCER CYTOVIA, INC. 2002-10-08 US claimed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP claimed
JP-2001520628-A 2001-10-30 JP claimed
EP-0801527-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS REYNOLDS TOBACCO CO R (US) 2001-09-05 EP claimed
WO-2000044216-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2000-08-03 WO claimed
WO-2000044216-A1 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2000-08-03 WO claimed
EP-0873050-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS REYNOLDS TOBACCO CO R (US) 1999-09-22 EP claimed
EP-0873050-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1998-10-28 EP claimed
US-5824692-A AMINOPYRIDINE, AMINOPYRIMIDINE DERIVATIVES TARGACEPT, INC. 1998-10-20 US claimed
EP-0801527-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-10-22 EP claimed
US-5604231-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS, DOPAMINERGIC AGENTS; SIDE EFFECT REDUCTION TARGACEPT, INC. 1997-02-18 US claimed
WO-1996020599-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO claimed
WO-1996020600-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO claimed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CASP5, CASP3, CASP7 L3MBTL1 1325/4885TDP1 1115/4885SIGMAR1 3690/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.